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CHEBI:203226 - Cystomanamide D

ChEBI IDCHEBI:203226
ChEBI NameCystomanamide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H54N6O13
Net Charge0
Average Mass754.835
Monoisotopic Mass754.37489
SMILESCC(C)CCCCC[C@H](CC(=O)N[C@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)O)[C@@H](O)C(N)=O)NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C34H54N6O13/c1-18(2)9-5-3-8-12-20(37-17-34(52)29(46)27(44)23(41)16-53-34)14-25(43)38-21(15-24(35)42)31(48)40-26(28(45)30(36)47)32(49)39-22(33(50)51)13-19-10-6-4-7-11-19/h4,6-7,10-11,18,20-23,26-29,37,41,44-46,52H,3,5,8-9,12-17H2,1-2H3,(H2,35,42)(H2,36,47)(H,38,43)(H,39,49)(H,40,48)(H,50,51)/t20-,21-,22-,23-,26+,27-,28-,29+,34-/m1/s1
InChIKeyLEKPXUJAHHIWPQ-JUSKRKDISA-N
Species of MetaboliteComponentSourceComments
Cystobacter (ncbitaxon:42) - PubMed (24735013)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cystomanamide D (CHEBI:203226) is a peptide (CHEBI:16670)
IUPAC Name 
(2R)-2-[[(2S,3R)-4-amino-2-[[(2R)-4-amino-2-[[(3R)-9-methyl-3-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]decanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxy-4-oxobutanoyl]amino]-3-phenylpropanoic acid
Manual XrefsDatabases
78436980ChemSpider